SCHEMBL12499118

SCHEMBL12499118

CCc1ncnc(N2CCN(S(C)(=O)=O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14649676 0.94 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL14562532 0.92 PIK3CA (1.00) PIK3CA
SCHEMBL12498286 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL14562484 0.89 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL12498099 0.88 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL19241903 0.87 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL14649636 0.85 PIK3CA (0.88) PIK3CA
SCHEMBL14642245 0.85 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL14649661 0.82 PIK3CA (0.88) PIK3CAMTOR
SCHEMBL14649596 0.82 PIK3CA (0.88) PIK3CAMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP claimed
EP-2668179-A1 NEW 5-ALKYNYL-PYRIDINES Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP claimed
US-8598157-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US claimed
US-20130023519-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US claimed
EP-2546249-A1 5-Alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-16 EP claimed
WO-2012101186-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO claimed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
US-8598157-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20130023519-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023519-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
EP-2546249-A1 5-Alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130023519-A1 5-ALKYNYL-PYRIDINES PIK3CA, PTEN, PIK3CD PIK3CA 1/4885MTOR 69/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.